5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid

C13H19N3O3 — CID 113435949

IUPAC5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)(C)NC(=O)CCNc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)16-11(17)6-7-14-9-4-5-10(12(18)19)15-8-9/h4-5,8,14H,6-7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyTXBBDRQJUNVQEC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.50
Rot. Bonds5

About 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid

5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid (PubChem CID 113435949) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
PubChem CID113435949
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)(C)NC(=O)CCNc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)16-11(17)6-7-14-9-4-5-10(12(18)19)15-8-9/h4-5,8,14H,6-7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyTXBBDRQJUNVQEC-UHFFFAOYSA-N
XLogP1.50
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-(4-fluoroanilino)propanamide
CID 109031342
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856
N-tert-butyl-3-(4-methylanilino)propanamide
CID 109031320
5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638991
5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79795048
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
CID 115490610
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid
CID 114518085
N-tert-butyl-3-(4-cyanoanilino)propanamide
CID 109031416
5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
CID 104638978
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 115490932
5-acetamidopyridine-2-carboxylic acid
CID 5278292

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid (CID 113435949) is 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid is CC(C)(C)NC(=O)CCNc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
The InChIKey is TXBBDRQJUNVQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,3)16-11(17)6-7-14-9-4-5-10(12(18)19)15-8-9/h4-5,8,14H,6-7H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 113435949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).